Cas no 70803-92-8 (Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI))
![Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI) structure](https://ossimg.kuujia.com/scimg/71000/70803-92-8x500.png)
70803-92-8 structure
Product Name:Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI)
CAS No:70803-92-8
MF:C16H22O7
MW:326.341685771942
CID:572279
PubChem ID:6441790
Update Time:2025-04-19
Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI)
- 6-[(1R,2R,3S)-2-[(Z)-4-carboxybut-2-enyl]-3-hydroxy-5-oxocyclopentyl]-4-oxohexanoic acid
- 9-hydroxy-11,15-dioxo-2,3,18,19-tetranorprost-5-ene-1,20-dioic acid
- 9-Hdtpd
- 70803-92-8
- Prostaglandin D-M
- Cyclopentanehexanoic acid, 2-(4-carboxy-2-butenyl)-3-hydroxy-gamma,5-dioxo-, (1R-(1alpha,2beta(Z),3beta))-
-
- Inchi： 1S/C16H22O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-13,18H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+/m1/s1
- InChI Key： QRKPLLLQZJCOLR-BWEANOATSA-N
- SMILES： O[C@H]1CC([C@H](CCC(CCC(=O)O)=O)[C@H]1C/C=C\CC(=O)O)=O
Computed Properties
- Exact Mass: 326.13656
- Monoisotopic Mass: 326.136553
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 10
- Complexity: 495
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: -0.8
- Topological Polar Surface Area: 129
Experimental Properties
- Density: 1.29
- Boiling Point: 609.2°C at 760 mmHg
- Flash Point: 336.3°C
- Refractive Index: 1.537
- PSA: 128.97
Cyclopentanehexanoicacid, 2-(4-carboxy-2-butenyl)-3-hydroxy-g,5-dioxo-, [1R-[1a,2b(Z),3b]]- (9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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